7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine

C26H26ClF2N5 — CID 176717007

IUPAC7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine
SMILESCc1nc2c(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3C)cc(Cl)nc2n1C
InChIInChI=1S/C26H26ClF2N5/c1-16-15-33(25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19)12-13-34(16)22-14-23(27)31-26-24(22)30-17(2)32(26)3/h4-11,14,16,25H,12-13,15H2,1-3H3
InChIKeyFIIQCWZSWILZLC-UHFFFAOYSA-N
MW481.98 g/mol
LogP5.51
Rot. Bonds4

About 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine

7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine (PubChem CID 176717007) has the molecular formula C26H26ClF2N5 and a molecular weight of 481.98 g/mol. Its IUPAC name is 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine
PubChem CID176717007
Molecular FormulaC26H26ClF2N5
Molecular Weight481.98 g/mol
Exact Mass481.18
IUPAC Name7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine
SMILESCc1nc2c(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3C)cc(Cl)nc2n1C
InChIInChI=1S/C26H26ClF2N5/c1-16-15-33(25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19)12-13-34(16)22-14-23(27)31-26-24(22)30-17(2)32(26)3/h4-11,14,16,25H,12-13,15H2,1-3H3
InChIKeyFIIQCWZSWILZLC-UHFFFAOYSA-N
XLogP5.51
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.98
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine (CID 176717007) is 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine is Cc1nc2c(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3C)cc(Cl)nc2n1C.
What is the InChIKey of 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine?
The InChIKey is FIIQCWZSWILZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N5/c1-16-15-33(25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19)12-13-34(16)22-14-23(27)31-26-24(22)30-17(2)32(26)3/h4-11,14,16,25H,12-13,15H2,1-3H3.
What are the key properties of 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine?
7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine has a molecular weight of 481.98 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 176717007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).